⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8097415 | 1.00 | — | — | |
| SCHEMBL515761 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL515760 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL15034490 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL4536563 | 0.83 | ALDH1A1 (0.38) | — | |
| Ethylene SCHEMBL148767 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL7719748 | 0.79 | ALDH1A1 (0.37) | — | |
| Cyclopentane SCHEMBL10332405 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL8637651 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL904443 | 0.77 | ALDH1A1 (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2000040221-A | TRANSPARENT MAGNETIC RECORDING MEDIUM | FUJI PHOTO FILM CO LTD | 2000-02-08 | — | — | JP | disclosed |
| EP-0550866-B1 | Process for the preparation of vinyl-substituted aromatics from arylamines | HOECHST AG (DE) | 1996-10-09 | — | — | EP | disclosed |
| EP-0550866-A2 | Process for the preparation of vinyl-substituted aromatics from arylamines | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-07-14 | — | — | EP | disclosed |